N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide

C7H14F3NO2S — CID 146411779

IUPACN-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-6(2,3)11-14(12,13)5-4-7(8,9)10/h11H,4-5H2,1-3H3
InChIKeyHCMYDHWRTOJVKU-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.66
Rot. Bonds3

About N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide

N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide (PubChem CID 146411779) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide
PubChem CID146411779
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC NameN-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-6(2,3)11-14(12,13)5-4-7(8,9)10/h11H,4-5H2,1-3H3
InChIKeyHCMYDHWRTOJVKU-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide?
The IUPAC name of N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide (CID 146411779) is N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide?
The canonical SMILES for N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide is CC(C)(C)NS(=O)(=O)CCC(F)(F)F.
What is the InChIKey of N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide?
The InChIKey is HCMYDHWRTOJVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-6(2,3)11-14(12,13)5-4-7(8,9)10/h11H,4-5H2,1-3H3.
What are the key properties of N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide?
N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide has a molecular weight of 233.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide is sourced from PubChem (CID 146411779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).